SCHEMBL3203712

SCHEMBL3203712

CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CASP3 P42574 1/20 0.45
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.44
USP30 Q70CQ3 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TRPC5 Q9UL62 1/20 0.43
BRD4 O60885 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4711716 0.87 MEN1 (0.48) ALDH1A1MEN1KMT2ACASP3PKM
SCHEMBL4708947 0.87 MEN1 (0.48) ALDH1A1MEN1KMT2ACASP3PKM
SCHEMBL22279598 0.85 TRPC5 (0.46) ALDH1A1MEN1KMT2ACASP3PKM
SCHEMBL3179986 0.84 CCKBR (0.52) MEN1KMT2AHPGDTSHRBRD4
SCHEMBL14037432 0.78 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30MAPK1
SCHEMBL853539 0.78 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30MAPK1
SCHEMBL1055082 0.78 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30MAPK1
SCHEMBL853540 0.78 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30MAPK1
SCHEMBL13177349 0.78 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30MAPK1
SCHEMBL10375649 0.78 CCKBR (0.45) ALDH1A1MEN1KMT2ABRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41149-E1 Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-23 US disclosed
US-RE41149-E1 Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-23 US disclosed
US-6031102-A Optically active pyridonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-02-29 US disclosed
US-5767127-A BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-16 US disclosed
US-5587386-A BACTERICIDES, MICROBIOCIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
CN-1010312-B PYRIDONECARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PREPARING SAME KYORIN SEIYAKU KK (JP) 1990-11-07 CN disclosed
EP-0208210-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION KYORIN PHARMACEUTICAL CO., LTD. (JP) 1990-10-24 EP disclosed
US-4753953-A Pyridonecarboxylic acid derivatives and antibacterial pharmaceutical compositions thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 1988-06-28 US disclosed
EP-0208210-A1 Pyridonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-01-14 EP disclosed